* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    198    316     586
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02070    93.85621   -62.46850
    3     1 S   H    _H1_     3     1.02120    86.42439    46.07882
    4     1 S   H    _H2_     4     1.02065    33.38134   178.81899
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08639   110.48971    58.92616
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C27    36     1.80229    98.76472   -78.16397
   34    33 S   HC   _H3_    37     1.08320   110.17574   -60.60578
   35    33 S   HC   _H4_    38     1.08345   110.13700    60.64192
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C22    39     1.54664   109.54837   179.97202
   40    39 S   OM   _O25    40     1.32631   104.80173   -55.54003
   41    39 S   CT   _C11    41     1.56067   109.46828    60.35327
   42    41 S   HC   _H42    42     1.09869   111.02270    15.54208
   43    41 S   HC   _H43    43     1.10041   112.22731  -103.20889
   44    41 S   CT   _C16    44     1.53681   110.46206   136.44671
   45    44 S   HC   _H48    45     1.08906   109.71648   171.52416
   46    44 S   CT   _C9_    46     1.53050   111.41462   -66.02640
   47    46 S   HC   _H38    47     1.09179   109.86201   -71.14172
   48    46 S   HC   _H39    48     1.08655   108.77652   172.17501
   49    46 S   CT   _C13    49     1.54492   109.18904    49.43139
   50    49 S   HC   _H45    50     1.09684   106.27062   -94.96213
   51    39 S   CT   _C20    51     1.61965   115.79566  -178.21798
   52    51 S   CT   _C17    52     1.56197   113.19235    52.64349
   53    52 S   HC   _H49    53     1.09177   109.46765    25.78500
   54    51 S   CO   _C19    90     1.58274   107.27126   177.95905
   55    54 S   HC   _H51    91     1.06327   111.32031   167.90116
   56    52 S   CT   _C10    54     1.53015   113.08900   -93.88782
   57    56 S   HC   _H40    55     1.10813   110.08688   175.61782
   58    56 S   HC   _H41    56     1.11100   107.93437    63.96272
   59    52 S   OS   _O33    83     1.42657   111.54259   144.06700
   60    44 S   OS   _O30    92     1.43203   108.56743    53.87428
   61    54 S   OS   _O34    93     1.42561   111.59164   -75.31332
   62    56 S   CT   _C14    57     1.54717   115.27384   -58.05640
   63    62 S   HC   _H46    58     1.13266   105.61045   146.08961
   64    59 S   CO4  _C6_    84     1.36496   115.65399  -149.73464
   65    64 S   O    _O26    85     1.22348   126.25519     0.03956
   66    61 S   CO4  _C7_    94     1.36592   115.67744  -160.66574
   67    66 S   O    _O27    95     1.22353   126.19261     0.03956
   68    49 S   CT   _C21    59     1.56835   116.13215   151.56434
   69    62 S   CT   _C25    79     1.53522   110.73402  -101.48179
   70    69 S   HC   _H58    80     1.08636   109.38867    66.76000
   71    69 S   HC   _H59    81     1.08580   109.39164   -53.16302
   72    69 S   HC   _H60    82     1.08490   109.39165  -173.20505
   73    64 S   CT   _C23    86     1.49923   109.75708   179.96044
   74    73 S   HC   _H52    87     1.09238   109.86987   -89.90417
   75    73 S   HC   _H53    88     1.09270   109.84830   148.09804
   76    73 S   HC   _H54    89     1.09434   109.31806    29.12971
   77    66 S   CT   _C24    96     1.49886   109.75456   179.97202
   78    77 S   HC   _H55    97     1.09235   109.89189   -89.95357
   79    77 S   HC   _H56    98     1.09264   109.83130   148.10198
   80    77 S   HC   _H57    99     1.09410   109.32084    29.13448
   81    68 S   CT   _C15    60     1.51631   108.54045    54.89565
   82    81 S   HC   _H47    61     1.10013   110.37812   179.96044
   83    68 S   CT   _C26    75     1.54367   113.83427   -62.26153
   84    83 S   HC   _H61    76     1.08206   108.87967  -179.98022
   85    83 S   HC   _H62    77     1.08217   108.86880    59.98446
   86    83 S   HC   _H63    78     1.08301   108.86338   -60.00299
   87    81 S   CT   _C8_    62     1.51994   113.50842    55.57719
   88    87 S   HC   _H36    63     1.09396   112.59266    81.28409
   89    87 S   HC   _H37    64     1.09729   110.17764   -39.36678
   90    81 S   OS   _O29    74     1.43466   109.81558   -61.80796
   91    87 S   CT   _C12    65     1.51270   103.08708  -155.19774
   92    91 S   HC   _H44    66     1.09482   112.55056   149.31539
   93    91 S   CM   _C4_    67     1.48440   115.78665   -83.04213
   94    93 S   HC   _H34    68     1.07898   125.72013   -63.55960
   95    93 S   CM   _C5_    69     1.32675   108.53699   118.89732
   96    95 S   HC   _H35    70     1.07535   128.41640   177.53685
   97    95 S   OS   _O28    71     1.37699   116.54911    -1.60376
   98    91 S   CO   _C18    72     1.53237   103.89363    26.81538
   99    98 S   HC   _H50    73     1.09507   112.29080   108.80559
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  12   5   4   2   1   1  19   8  12   6   5  12   6  12   6   5
  22   7  16  16   7   9   3  13   6   5   7   2   6  14   7   5
   4   5   4  16   5   2   1   1   3   2   1   1   3   2   1   1
  15   7   5   2   1   1  11   6   5   7   8   6   6   4   4   2
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    49    51    52    54  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    52    53    56    68    59    54    55    60    61  
   41    42    43    44    49    51    52    54  
   42    43    44    45    46    47    48    49    51    52    54    60  
   43    44    45    46    51    60  
   44    45    46    51    60  
   45    46    47    48    49    50    51    68    54    55    60    61  
   46    47    48    49    54    60  
   47    48    49    50    51    52    62    68    81    83    54    60  
   48    49    50    51    68    60  
   49    50    51    68    60  
   50    51    52    53    56    62    63    68    81    82    87    90    83    84    85    86    69    59    54    55    60    61  
   51    52    62    68    81    83    54  
   52    53    56    57    58    62    68    81    83    59    64    54    55    60    61    66  
   53    56    57    58    62    63    68    69    59    64    65    73    54    55    60    61  
   56    57    58    62    59    64    54  
   55    60    61    66    67    77    56    59    68  
   60    61    66  
   57    58    62    63    68    81    83    69    70    71    72    59    64  
   58    62    63    68    69    59  
   62    63    68    69    59  
   64    65    73    74    75    76    62  
   61    66  
   66    67    77    78    79    80  
   63    68    81    82    87    90    83    84    85    86    69    70    71    72  
   68    81    83    69    70    71    72  
   65    73    74    75    76  
   73    74    75    76  
   67    77    78    79    80  
   77    78    79    80  
   81    82    87    88    89    91    98    90    83    84    85    86    69    70    71    72  
   70    71    72    81    83  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    87    88    89    91    92    93    97    98    99    90    83    84    85    86  
   87    88    89    91    98    90    83  
   84    85    86    87    90  
   85    86  
   86  
    0  
   88    89    91    92    93    94    95    97    98    99    90  
   89    91    92    93    98    90  
   91    92    93    98    90  
   91    92    93    95    97    98    99  
   92    93    94    95    96    97    98    99  
   93    94    95    97    98    99  
   94    95    96    97    98    99  
   95    96    97    98  
   96    97    98    99  
   97    98  
   98    99  
   99  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    51   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    60   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    68   268.000  1.529
   51    52   268.000  1.529
   51    54   250.000  1.527
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    81   268.000  1.529
   68    83   268.000  1.529
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    93   317.000  1.510
   91    98   250.000  1.527
   93    94   340.000  1.080
   93    95   549.000  1.340
   95    96   340.000  1.080
   95    97   440.000  1.360
   97    98   320.000  1.380
   98    99   340.000  1.090
   98    90   320.000  1.380
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    64   214.000  1.327
   64    65   570.000  1.229
   64    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   54    55   340.000  1.090
   54    60   320.000  1.380
   54    61   320.000  1.380
   61    66   214.000  1.327
   66    67   570.000  1.229
   66    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    51    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    51    49    58.35000  112.70000
   39    51    52    58.35000  112.70000
   39    51    54    75.00000  109.43000
   41    39    40    50.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    60    50.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    60    54    60.00000  109.50000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    68    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    58.35000  112.70000
   49    51    54    75.00000  109.43000
   49    68    62    58.35000  112.70000
   49    68    81    58.35000  112.70000
   49    68    83    58.35000  112.70000
   51    39    40    50.00000  109.50000
   51    39    41    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    56    58.35000  112.70000
   51    52    59    50.00000  109.50000
   51    54    55    45.00000  112.01100
   51    54    60    90.00000  108.56700
   51    54    61    90.00000  108.56700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    59    64    83.00000  116.90000
   56    52    53    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    68    58.35000  112.70000
   56    62    69    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    68    81    58.35000  112.70000
   62    68    83    58.35000  112.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    49    50    37.50000  110.70000
   68    49    51    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    81    82    37.50000  110.70000
   68    81    87    58.35000  112.70000
   68    81    90    50.00000  109.50000
   68    83    84    37.50000  110.70000
   68    83    85    37.50000  110.70000
   68    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    91    58.35000  112.70000
   81    90    98    60.00000  109.50000
   87    81    82    37.50000  110.70000
   87    91    92    37.50000  110.70000
   87    91    93    70.00000  112.02700
   87    91    98    75.00000  109.43000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    93    94    35.00000  117.00000
   91    93    95    70.00000  124.00000
   91    98    97    90.00000  108.56700
   91    98    99    45.00000  112.01100
   91    98    90    90.00000  108.56700
   93    91    92    35.00000  109.50000
   93    95    96    35.00000  120.00000
   93    95    97    80.00000  120.01400
   95    93    94    35.00000  120.00000
   95    97    98    85.00000  113.97000
   97    95    96    55.00000  109.52600
   97    98    99    35.00000  109.50000
   97    98    90    92.60000  111.55000
   98    91    92    45.00000  108.72000
   98    91    93    70.00000  112.02700
   90    81    82    35.00000  109.50000
   90    81    87    50.00000  109.50000
   90    98    99    35.00000  109.50000
   83    68    81    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    56    50.00000  109.50000
   59    64    65    83.00000  123.40000
   59    64    73    81.00000  111.40000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   73    64    65    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   54    51    52    75.00000  109.43000
   54    61    66    95.00000  111.08000
   60    44    45    35.00000  109.50000
   60    44    46    50.00000  109.50000
   60    54    55    35.00000  109.50000
   61    54    55    35.00000  109.50000
   61    54    60    92.60000  111.55000
   61    66    67    83.00000  123.40000
   61    66    77    81.00000  111.40000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   77    66    67    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
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   55    54    61    66   0.08050  1.0 3.0
   60    44    46    47   0.23400  1.0 3.0
   60    44    46    48   0.23400  1.0 3.0
   60    44   -46    49   0.62750  1.0 1.0
   60    44   -46    49  -0.30950 -1.0 2.0
   60    44   -46    49   0.27300  1.0 3.0
   60    54    61    66  -1.83450  1.0 1.0
   60    54    61    66  -0.02700 -1.0 2.0
   60    54    61    66  -0.20100  1.0 3.0
   61    54    60    44  -0.81800  1.0 1.0
   61    66    77    78   0.00000  1.0 1.0
   61    66    77    79   0.00000  1.0 1.0
   61    66    77    80   0.00000  1.0 1.0
   67    66    77    78   0.00000  1.0 1.0
   67    66    77    79   0.00000  1.0 1.0
   67    66    77    80   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   91    94    93    95   1.10000 -1.0 2.0
   97    96    95    93   1.10000 -1.0 2.0
   59    73    64    65  10.50000 -1.0 2.0
   61    77    66    67  10.50000 -1.0 2.0
END
